./iterations/neb0_image02_iter31_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.367819940767E+03 0.36782E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.470578011441E+01 -0.36311E+03 -0.34838E+03 831 0.195E+02
DAV: 3 -0.955690449204E+02 -0.10027E+03 -0.99938E+02 680 0.117E+02
DAV: 4 -0.100106380886E+03 -0.45373E+01 -0.45267E+01 712 0.283E+01
DAV: 5 -0.100193161516E+03 -0.86781E-01 -0.86738E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.915718203105E+02 0.86213E+01 -0.30780E+01 704 0.299E+01 0.117E+01
DAV: 7 -0.907369377756E+02 0.83488E+00 -0.18190E+00 712 0.635E+00 0.483E+00
DAV: 8 -0.903471502166E+02 0.38979E+00 -0.57091E-01 696 0.433E+00 0.169E+00
DAV: 9 -0.902566210593E+02 0.90529E-01 -0.14329E-01 696 0.168E+00 0.441E-01
DAV: 10 -0.902497520057E+02 0.68691E-02 -0.41187E-02 712 0.123E+00 0.310E-01
DAV: 11 -0.902532538419E+02 -0.35018E-02 -0.64626E-03 616 0.452E-01 0.159E-01
DAV: 12 -0.902564822598E+02 -0.32284E-02 -0.65277E-03 616 0.475E-01 0.122E-01
DAV: 13 -0.902595726308E+02 -0.30904E-02 -0.10004E-03 765 0.284E-01 0.760E-02
DAV: 14 -0.902627599478E+02 -0.31873E-02 -0.17018E-03 637 0.193E-01 0.573E-02
DAV: 15 -0.902652049097E+02 -0.24450E-02 -0.47013E-04 821 0.154E-01 0.314E-02
DAV: 16 -0.902664339359E+02 -0.12290E-02 -0.32764E-04 664 0.941E-02 0.288E-02
DAV: 17 -0.902673720435E+02 -0.93811E-03 -0.10807E-04 653 0.514E-02 0.213E-02
DAV: 18 -0.902676382891E+02 -0.26625E-03 -0.99824E-05 680 0.602E-02 0.823E-03
DAV: 19 -0.902678196440E+02 -0.18135E-03 -0.17767E-05 466 0.216E-02 0.744E-03
DAV: 20 -0.902678846496E+02 -0.65006E-04 -0.86760E-06 464 0.126E-02 0.584E-03
DAV: 21 -0.902679161648E+02 -0.31515E-04 -0.58619E-06 455 0.129E-02 0.178E-03
DAV: 22 -0.902679266019E+02 -0.10437E-04 -0.37807E-06 448 0.101E-02 0.228E-03
DAV: 23 -0.902679277963E+02 -0.11944E-05 -0.71539E-07 520 0.424E-03
1 F= -.90267928E+02 E0= -.90274787E+02 d E =0.205765E-01